3-(1,3-benzothiazol-2-yl)-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one
3-(1,3-benzothiazol-2-yl)-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one
Compound characteristics
| Compound ID: | SA47-0135 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H20 N2 O3 S |
| Smiles: | CC1(CC2(CN(C2)C(CCc2nc3ccccc3s2)=O)OC1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0861 |
| logD: | 2.0861 |
| logSw: | -2.3923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.67 |
| InChI Key: | PXCDMFLAQFCRGU-INIZCTEOSA-N |